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7ZGC
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BU of 7zgc by Molmil
Structure of yeast Sec14p with NPPM481
分子名称: (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, PHOSPHATE ION, SEC14 cytosolic factor
著者Hong, Z, Johnen, P, Schaaf, G, Bono, F.
登録日2022-04-03
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
7ZGD
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BU of 7zgd by Molmil
Structure of yeast Sec14p with NPPM244
分子名称: (4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, SEC14 cytosolic factor
著者Hong, Z, Johnen, P, Schaaf, G, Bono, F.
登録日2022-04-03
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Mechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
J.Biol.Chem., 299, 2023
6F0E
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BU of 6f0e by Molmil
Structure of yeast Sec14p with a picolinamide compound
分子名称: SEC14 cytosolic factor, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
著者Hong, Z, Johnen, P, Schaaf, G, Bono, F.
登録日2017-11-20
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.
Cell Chem Biol, 25, 2018
5DOZ
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BU of 5doz by Molmil
Crystal structure of JamJ enoyl reductase (NADPH bound)
分子名称: ACETATE ION, JamJ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-11
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DOV
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BU of 5dov by Molmil
Crystal structure of JamJ enoyl reductase (apo form)
分子名称: GLYCEROL, JamJ
著者Khare, D, Smith, J.L.
登録日2015-09-11
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DP2
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BU of 5dp2 by Molmil
CurF ER cyclopropanase from curacin A biosynthetic pathway
分子名称: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DP1
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BU of 5dp1 by Molmil
Crystal structure of CurK enoyl reductase
分子名称: CurK, GLYCEROL, PHOSPHATE ION
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
4X7U
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BU of 4x7u by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg, SAH and mycinamicin III (substrate)
分子名称: MAGNESIUM ION, MYCINAMICIN III, Mycinamicin III 3''-O-methyltransferase, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X81
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BU of 4x81 by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7W
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BU of 4x7w by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
分子名称: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Z
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BU of 4x7z by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin III (substrate)
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, MYCINAMICIN III, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7X
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BU of 4x7x by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin
分子名称: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Y
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BU of 4x7y by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg and SAH
分子名称: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7V
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BU of 4x7v by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product)
分子名称: MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4XVZ
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BU of 4xvz by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg
分子名称: CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase
著者Akey, D.L, Smith, J.L.
登録日2015-01-28
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4XVY
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BU of 4xvy by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with SAH
分子名称: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Akey, D.L, Smith, J.L.
登録日2015-01-28
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
2V71
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BU of 2v71 by Molmil
Coiled-coil region of NudEL
分子名称: NUCLEAR DISTRIBUTION PROTEIN NUDE-LIKE 1
著者Derewenda, U, Cooper, D.R, Kim, M.H, Derewenda, Z.S.
登録日2007-07-25
公開日2007-11-27
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Structure of the Coiled-Coil Domain of Ndel1 and the Basis of its Interaction with Lis1, the Causal Protein of Miller-Dieker Lissencephaly.
Structure, 15, 2007
5WGT
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BU of 5wgt by Molmil
Crystal Structure of MalA' H253A, premalbrancheamide complex
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGX
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BU of 5wgx by Molmil
Crystal Structure of MalA' H253A, malbrancheamide B complex
分子名称: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGS
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BU of 5wgs by Molmil
Crystal Structure of MalA' H253F, premalbrancheamide complex
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGR
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BU of 5wgr by Molmil
Crystal Structure of Wild-type MalA', premalbrancheamide complex
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGZ
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BU of 5wgz by Molmil
Crystal Structure of Wild-type MalA', isomalbrancheamide B complex
分子名称: (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGY
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BU of 5wgy by Molmil
Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex
分子名称: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGW
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BU of 5wgw by Molmil
Crystal Structure of Wild-type MalA', malbrancheamide B complex
分子名称: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGV
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BU of 5wgv by Molmil
Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017

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